3,4,6,6a-tetrahydrophenanthridine

C13H13N — CID 57146613

IUPAC3,4,6,6a-tetrahydrophenanthridine
SMILESC1=CC2=C3C=CCCC3=NCC2C=C1
InChIInChI=1S/C13H13N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-3,5-7,10H,4,8-9H2
InChIKeyWNHFLTWZGFNWSM-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.83
Rot. Bonds

About 3,4,6,6a-tetrahydrophenanthridine

3,4,6,6a-tetrahydrophenanthridine (PubChem CID 57146613) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,4,6,6a-tetrahydrophenanthridine.

Molecular Properties

Compound Name3,4,6,6a-tetrahydrophenanthridine
PubChem CID57146613
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name3,4,6,6a-tetrahydrophenanthridine
SMILESC1=CC2=C3C=CCCC3=NCC2C=C1
InChIInChI=1S/C13H13N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-3,5-7,10H,4,8-9H2
InChIKeyWNHFLTWZGFNWSM-UHFFFAOYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
2,3,4,6-Tetrahydroquinoline
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2,3-Dihydrobenzo[g]quinoline
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Frequently Asked Questions

What is the IUPAC name of 3,4,6,6a-tetrahydrophenanthridine?
The IUPAC name of 3,4,6,6a-tetrahydrophenanthridine (CID 57146613) is 3,4,6,6a-tetrahydrophenanthridine.
What is the SMILES notation for 3,4,6,6a-tetrahydrophenanthridine?
The canonical SMILES for 3,4,6,6a-tetrahydrophenanthridine is C1=CC2=C3C=CCCC3=NCC2C=C1.
What is the InChIKey of 3,4,6,6a-tetrahydrophenanthridine?
The InChIKey is WNHFLTWZGFNWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-3,5-7,10H,4,8-9H2.
What are the key properties of 3,4,6,6a-tetrahydrophenanthridine?
3,4,6,6a-tetrahydrophenanthridine has a molecular weight of 183.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6a-tetrahydrophenanthridine is sourced from PubChem (CID 57146613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).